Benzonitrile,2-[2-(trimethylsilyl)ethynyl]- supplier

Name
2-[(TRIMETHYLSILYL)ETHYNYL]BENZONITRILE
EINECS
CAS No. 97308-62-8
Article Data18
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NSi
Boiling Point 276.5 °C at 760 mmHg
Molecular Weight 199.327
Flash Point 121 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Trimethylsilylethynyl)benzonitrile;Benzonitrile,2-[(trimethylsilyl)ethynyl]- (9CI);
PSA 23.79000
LogP 2.78718

Benzonitrile,2-[2-(trimethylsilyl)ethynyl]- Specification

The Benzonitrile,2-[2-(trimethylsilyl)ethynyl]- is an organic compound with the formula C₁₂H₁₃NSi. With the CAS registry number 97308-62-8, the systematic name of this chemical is 2-(2-trimethylsilylethynyl)benzonitrile.

Physical properties about Benzonitrile,2-[2-(trimethylsilyl)ethynyl]- are: (1)ACD/LogP: 3.89; (2)ACD/LogD (pH 5.5): 3.89; (3)ACD/LogD (pH 7.4): 3.89; (4)#H bond acceptors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 23.79 Å²; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 61.23 cm³; (9)Molar Volume: 201 cm³; (10)Polarizability: 24.27×10^-24cm³; (11)Surface Tension: 34.9 dyne/cm; (12)Density: 0.99 g/cm³; (13)Flash Point: 121 °C; (14)Enthalpy of Vaporization: 51.5 kJ/mol; (15)Boiling Point: 276.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00478 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[Si](C)(C)C#Cc1ccccc1C#N
(2)InChI: InChI=1/C12H13NSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h4-7H,1-3H3
(3)InChIKey: OSJJQDZTHSMKBV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H13NSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h4-7H,1-3H3
(5)Std. InChIKey: OSJJQDZTHSMKBV-UHFFFAOYSA-N

Product Name

2-[(TRIMETHYLSILYL)ETHYNYL]BENZONITRILE

Benzonitrile,2-[2-(trimethylsilyl)ethynyl]- Specification

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